Structure of PDB 4ft4 Chain A Binding Site BS02

Receptor Information
>4ft4 Chain A (length=688) Species: 4577 (Zea mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HEPEFIGSPVAADEARSNWPKRYELKARCHYRSAKVDNVVYCLGDDVYVK
AGENEADYIGRITEFFEGTDQCHYFTCRWFFRAEDTVINSLVSISVDGHK
HDPRRVFLSEEKNDNVLDCIISKVKIVHVDPNMDPKAKAQLIESCDLYYD
MSYSVAYSTFANITRTATLLDLYSGCGGMSTGLCLGAALSGLKLETRWAV
DFNSFACQSLKYNHPQTEVRNEKADEFLALLKEWAVLCKKYVEFVVEKLV
GICYGGSDRENGIYFKVQWEGYGPEEDTWEPIDNLSDCPQKIREFVQEGH
KRKILPLPGDVDVICGGPPCQGISGFNRYRNRDEPLKDEKNKQMVTFMDI
VAYLKPKYVLMENVVDILKFADGYLGKYALSCLVAMKYQARLGMMVAGCY
GLPQFRMRVFLWGALSSMVLPKYPLPTYDVVVRGGAPNAFSQCMVAYDET
QKPSLKKALLLGDAISDLPKVQNHQPNDVMEYGGSPKTEFQRYIRLSRKD
MLDWSFGEGAGPDEGKLLDHQPLRLNNDDYERVQQIPVKKGANFRDLKGV
RVGANNIVEWDPEIERVKLSSGKPLVPDYAMSFIKGKSLKPFGRLWWDET
VPTVVTRAEPHNQVIIHPTQARVLTIRENARLQGFPDYYRLFGPIKEKYI
QVGNAVAVPVARALGYCLGQAYLGESEGSDPLYQLPPS
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain4ft4 Chain A Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4ft4 Dual Binding of Chromomethylase Domains to H3K9me2-Containing Nucleosomes Directs DNA Methylation in Plants.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y347 G349 G352 D375 F376 K397 A398 Q540 A852 V853
Binding residue
(residue number reindexed from 1)		Y173 G175 G178 D201 F202 K223 A224 Q343 A655 V656
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) C517 E559 R603 R605
Catalytic site (residue number reindexed from 1) C320 E362 R406 R408
Enzyme Commision number 2.1.1.37: DNA (cytosine-5-)-methyltransferase.
Gene Ontology
Molecular Function
GO:0003682 chromatin binding
GO:0008168 methyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4ft4, PDBe:4ft4, PDBj:4ft4
PDBsum4ft4
PubMed23021223
UniProtQ9AXT8|CMT1_MAIZE DNA (cytosine-5)-methyltransferase 1 (Gene Name=MET2A)

[Back to BioLiP]